![N-[2-Acetamidoethylthio]-p-carbomethoxyaniline](/api/spectrum/FfwtCWEoQjX/structure.png?h=300&w=458 "N-[2-Acetamidoethylthio]-p-carbomethoxyaniline")
| SpectraBase Compound ID | 6b175CFfEHk |
|---|---|
| InChI | InChI=1S/C12H16N2O3S/c1-9(15)13-7-8-18-14-11-5-3-10(4-6-11)12(16)17-2/h3-6,14H,7-8H2,1-2H3,(H,13,15) |
| InChIKey | IBBZOERDNZCNCX-UHFFFAOYSA-N |
| Mol Weight | 268.33 g/mol |
| Molecular Formula | C12H16N2O3S |
| Exact Mass | 268.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfwtCWEoQjX |
|---|---|
| Name | N-[2-Acetamidoethylthio]-p-carbomethoxyaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.088163554 u |
| Formula | C12H16N2O3S |
| InChI | InChI=1S/C12H16N2O3S/c1-9(15)13-7-8-18-14-11-5-3-10(4-6-11)12(16)17-2/h3-6,14H,7-8H2,1-2H3,(H,13,15) |
| InChIKey | IBBZOERDNZCNCX-UHFFFAOYSA-N |
| SMILES | C1(NSCCNC(=O)C)=CC=C(C(=O)OC)C=C1 |